Vitas-M small molecule compound

N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide

Catalog ID
STL023833
SMILES COc1cc(CCNC(=O)CSc2nc3c(s2)cc(cc3)NC(=O)c2ccccc2C)ccc1OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H27N3O4S2 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S2/c1-17-6-4-5-7-20(17)26(32)29-19-9-10-21-24(15-19)36-27(30-21)35-16-25(31)28-13-12-18-8-11-22(33-2)23(14-18)34-3/h4-11,14-15H,12-13,16H2,1-3H3,(H,28,31)(H,29,32)
InChIKey
AGRWFJBUHVDMTJ-UHFFFAOYSA-N
Synonyms
443296-61-5
443296615
CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC(=C(C=C4)OC)OC
InChI=1SC27H27N3O4S2c117645720(17)26(32)29199102124(1519)3627(3021)351625(31)2813121881122(332)23(1418)343h4111415H121316H213H3(H2831)(H2932)
MFCD02801083
N(2((2((2(34dimethoxyphenyl)ethyl)amino)2oxoethyl)sulfanyl)13benzothiazol6yl)2methylbenzamide
N(2((2((34dimethoxyphenethyl)amino)2oxoethyl)thio)benzo(d)thiazol6yl)2methylbenzamide
N(2(2(2(34DIMETHOXYPHENYL)ETHYLAMINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)2METHYLBENZAMIDE
ZINC000000660357
ZINC00660357
ZINC660357

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.